(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide

C23H24F5NO — CID 58111790

About (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 58111790) has the molecular formula C23H24F5NO and a molecular weight of 425.44 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide
• PubChem CID: 58111790
• Molecular Formula: C23H24F5NO
• Molecular Weight: 425.44 g/mol
• Exact Mass: 425.18
• IUPAC Name: (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide
• SMILES: CCCc1cc(C(F)(F)F)ccc1/C=C(\C)C(=O)N[C@H](C)c1cc(F)c(C)c(F)c1
• InChI: InChI=1S/C23H24F5NO/c1-5-6-16-10-19(23(26,27)28)8-7-17(16)9-13(2)22(30)29-15(4)18-11-20(24)14(3)21(25)12-18/h7-12,15H,5-6H2,1-4H3,(H,29,30)/b13-9+/t15-/m1/s1
• InChIKey: XELQIHFYOAFNKJ-BMQCOBNYSA-N
• XLogP: 6.53
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.44
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide?

The IUPAC name of (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide (CID 58111790) is (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide is CCCc1cc(C(F)(F)F)ccc1/C=C(\C)C(=O)N[C@H](C)c1cc(F)c(C)c(F)c1.

What is the InChIKey of (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide?

The InChIKey is XELQIHFYOAFNKJ-BMQCOBNYSA-N. The full InChI is InChI=1S/C23H24F5NO/c1-5-6-16-10-19(23(26,27)28)8-7-17(16)9-13(2)22(30)29-15(4)18-11-20(24)14(3)21(25)12-18/h7-12,15H,5-6H2,1-4H3,(H,29,30)/b13-9+/t15-/m1/s1.

What are the key properties of (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide?

(E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 425.44 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-2-methyl-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 58111790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).